As2O7Sr2
Strontium pyroarsenate is an inorganic crystalline compound composed of strontium, arsenic, and oxygen. It is primarily utilized in specialized materials science research and as a precursor in the synthesis of complex oxide ceramics.
AsOSr
Overview
Key Properties
Cross-validated computational properties for As2O7Sr2, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
3.25 eV
Range across DFT structures
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
0.000 eV/atom
Best (lowest) across sources
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
On hull (stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
4
3 databases, 3 space groups
Validation
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of As2O7Sr2. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
1.00 / 1.00
Trust tier: medium
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
0.000 eV
EAH spread across sources
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
1
materials_project
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
All match
Crystallography
Reported Structures
Lowest-energy structures reported for As2O7Sr2, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| P43 (No. 78) | tetragonal | 3.25 | 0.0000 | -6.825 | 4.43 |
| P41 (No. 76) | tetragonal | 3.25 | 0.0002 | -6.825 | 4.24 |
| — | — | — | — | — | 3.90 |
| No. 0 | unknown | — | — | — | 1.12 |
Uses
Applications
Where As2O7Sr2 is used.
Materials science researchCeramic synthesisSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about As2O7Sr2, answered from cross-validated data.
What is As2O7Sr2?
Strontium pyroarsenate is an inorganic crystalline compound composed of strontium, arsenic, and oxygen. It is primarily utilized in specialized materials science research and as a precursor in the synthesis of complex oxide ceramics.
More questions
What is As2O7Sr2 used for?
As2O7Sr2 is used in materials science research, ceramic synthesis, and solid-state chemistry studies.
What is the band gap of As2O7Sr2?
As2O7Sr2 has a DFT-computed band gap of 3.25 eV across 4 reported structures.
Is As2O7Sr2 a metal, semiconductor, or insulator?
With a wide band gap up to 3.25 eV it is an insulator / wide-band-gap material.
Is As2O7Sr2 thermodynamically stable?
Yes — As2O7Sr2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of As2O7Sr2?
The lowest-energy reported polymorph of As2O7Sr2 is tetragonal symmetry, space group P43 (No. 78).
What is the density of As2O7Sr2?
The computed density of the ground-state structure of As2O7Sr2 is 4.43 g/cm³.
How many polymorphs of As2O7Sr2 are known?
4 structures of As2O7Sr2 are reported across 3 databases, spanning 3 distinct space groups.
What elements does As2O7Sr2 contain?
As2O7Sr2 contains As, O, and Sr (3 elements).
Where does the data for As2O7Sr2 come from?
As2O7Sr2 data is cross-referenced from materials_project, omat24, cod.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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